BDBM294354 US9586950, 21::methyl 4-cyano-2-({(3R,6R)-1-[(3- fluoro-2-pyrimidin-2- ylphenyl)carbonyl]-6- methylpiperidin-3-yl}oxy)pyridine- 3-carboxylate

SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2ncccn2)nccc1C#N

InChI Key InChIKey=RIKZSZJKZSLKSP-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 294354   

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM294354(US9586950, 21 | methyl 4-cyano-2-({(3R,6R)-1-[(3- ...)
Affinity DataIC50: 36.3nMAssay Description:. In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
Go to US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM294354(US9586950, 21 | methyl 4-cyano-2-({(3R,6R)-1-[(3- ...)
Affinity DataIC50: 855nMAssay Description:. In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
Go to US Patent

TargetOrexin receptor type 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM294354(US9586950, 21 | methyl 4-cyano-2-({(3R,6R)-1-[(3- ...)
Affinity DataKi:  1.20nMAssay Description:Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
Go to US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM294354(US9586950, 21 | methyl 4-cyano-2-({(3R,6R)-1-[(3- ...)
Affinity DataKi:  174nMAssay Description:Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2019
Entry Details
Go to US Patent